mirror of
https://github.com/triqs/dft_tools
synced 2024-08-16 17:28:29 +02:00
86 lines
2.9 KiB
Python
86 lines
2.9 KiB
Python
r"""
|
|
Tests of 'parse_input()' defined in ConfigParameters class
|
|
"""
|
|
import arraytest
|
|
import numpy as np
|
|
from inpconf import ConfigParameters
|
|
|
|
################################################################################
|
|
#
|
|
# TestParseInput
|
|
#
|
|
################################################################################
|
|
class TestParseInput(arraytest.ArrayTestCase):
|
|
"""
|
|
Function:
|
|
|
|
def parse_input(self)
|
|
|
|
Scenarios:
|
|
|
|
- **if** no [Group] section exists and more than one [Shell] section
|
|
is given **raise** AssertionError
|
|
- **if** no [Group] section exists but the single [Shell] section
|
|
does not contain required group information **raise** KeyError
|
|
- **if** a shell referenced in a group does not exist
|
|
**raise** Exception
|
|
- **if** not all defined shells are referenced in the groups
|
|
**raise** Exception
|
|
- **if** all sections are parsed error-free check that the output
|
|
is correct
|
|
"""
|
|
# Scenario 1
|
|
def test_no_group(self):
|
|
conf_pars = ConfigParameters('input_test_1.cfg')
|
|
err_mess = "At least one group"
|
|
with self.assertRaisesRegexp(AssertionError, err_mess):
|
|
conf_pars.parse_input()
|
|
|
|
# Scenario 2
|
|
def test_gr_required(self):
|
|
conf_pars = ConfigParameters('input_test_2.cfg')
|
|
err_mess = "One \[Shell\] section is"
|
|
with self.assertRaisesRegexp(KeyError, err_mess):
|
|
conf_pars.parse_input()
|
|
|
|
# Scenario 3
|
|
def test_no_shell(self):
|
|
conf_pars = ConfigParameters('input_test_3.cfg')
|
|
err_mess = "Shell 3 referenced in"
|
|
with self.assertRaisesRegexp(Exception, err_mess):
|
|
conf_pars.parse_input()
|
|
|
|
# Scenario 4
|
|
def test_shell_outside_groups(self):
|
|
conf_pars = ConfigParameters('input_test_4.cfg')
|
|
err_mess = "Some shells are not inside"
|
|
with self.assertRaisesRegexp(AssertionError, err_mess):
|
|
conf_pars.parse_input()
|
|
|
|
# Scenario 5
|
|
def test_example(self):
|
|
conf_pars = ConfigParameters('example.cfg')
|
|
conf_pars.parse_input()
|
|
# with open('parse_input.output.test', 'wt') as f:
|
|
# f.write("Shells:\n")
|
|
# f.write(conf_pars.shells.__repr__() + '\n\n')
|
|
# f.write("Groups:\n")
|
|
# f.write(conf_pars.groups.__repr__() + '\n')
|
|
res = "Shells:\n"
|
|
res += conf_pars.shells.__repr__() + '\n\n'
|
|
res += "Groups:\n"
|
|
res += conf_pars.groups.__repr__()
|
|
|
|
expected = r"""Shells:
|
|
[{'ion_list': array([4, 5, 6, 7]), 'user_index': 1, 'lshell': 2}, {'tmatrix': array([[ 0., 1., 0.],
|
|
[ 1., 0., 0.],
|
|
[ 0., 0., 1.]]), 'ion_list': array([0, 1, 2, 3]), 'user_index': 2, 'lshell': 1}, {'ion_list': array([0, 1, 2, 3]), 'user_index': 3, 'lshell': 3}]
|
|
|
|
Groups:
|
|
[{'normalize': True, 'index': 1, 'shells': [0, 1], 'normion': False, 'emax': 3.0, 'emin': -7.6}, {'normalize': True, 'index': 2, 'shells': [2], 'normion': False, 'emax': 2.0, 'emin': -1.6}]"""
|
|
|
|
self.assertEqual(res, expected)
|
|
|
|
|
|
|